SCHEMBL4614633

SCHEMBL4614633

O=C(OCc1ccccc1)C1(N(CCCO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
RORC P51449 5/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
MGLL Q99685 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
NR1I2 O75469 1/20 0.36
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 0.36
KMT2A Q03164 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6809611 0.93 MMP1 (0.54) MMP1RORCKEAP1NFE2L2TAS2R14
SCHEMBL4616560 0.90 MMP1 (0.56) MMP1RORCKEAP1NFE2L2MGLL
SCHEMBL4616532 0.86 MMP1 (0.49) MMP1RORCKEAP1NFE2L2MGLL
SCHEMBL4615702 0.85 MMP1 (0.39) MMP1RORCKEAP1NFE2L2MGLL
SCHEMBL6813135 0.82 MMP1 (0.67) MMP1RORCKEAP1NFE2L2KMT2A
SCHEMBL6813465 0.79 MMP1 (0.55) MMP1RORCKMT2A
SCHEMBL6813134 0.78 MMP1 (0.47) MMP1RORCKEAP1NFE2L2NR1I2
SCHEMBL4614179 0.74 MMP1 (0.51) MMP1RORCKEAP1NFE2L2TAS2R14
SCHEMBL4614895 0.73 MMP1 (0.51) MMP1RORCMGLLBCL2L1MCL1
SCHEMBL4616085 0.70 MMP1 (0.56) MMP1TAS2R14ITGB1ITGA4ITGB7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190105409-A9 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2019-04-11 US disclosed
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2014-09-25 US disclosed
US-20120269727-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES GE HEALTHCARE AS (NO) 2012-10-25 US disclosed
US-20080095704-A1 A polyoxyethylene glycol having a molecular weight of < 3000 Da and 2-50 ethylene glycol units, an imageable moiety anda non-peptidic vector moiety provided that the vector does not have affinity for the Angiotensin II receptor; enhanced contrast; tomography (SPECT); PET sccans; MRIs GE HEALTHCARE AS (NO) 2008-04-24 US disclosed
EP-1682113-B1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LTD (GB) 2008-01-23 EP disclosed
US-20070104644-A1 Inhibitor imaging agents CUTHBERTSON ALAN 2007-05-10 US disclosed
EP-1682113-A1 INHIBITOR IMAGING AGENTS GE Healthcare Limited (GB) 2006-07-26 EP disclosed
WO-2006004429-A2 IMAGING AGENTS COMPRISING A NON- PEPTIDIC VECTOR LINKED TO A FLUOROPHORE VIA A POLYETHYLENE GLYCOL LINKER GE HEALTHCARE AS (NO) 2006-01-12 WO disclosed
WO-2005049005-A1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2005-06-02 WO disclosed
EP-0895988-B1 Arylsulfonylamino hydroxamic acid derivatives PFIZER PROD INC (US) 2002-05-22 EP disclosed
US-6107337-A ANTIARTHRITIC AGENTS; ANTICARCINOGENIC AGENTS PFIZER INC. (US) 2000-08-22 US disclosed
EP-0895988-A1 Arylsulfonylamino hydroxamic acid derivatives Pfizer Products Inc. (US) 1999-02-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080095704-A1 A polyoxyethylene glycol having a molecular weight of < 3000 Da and 2-50 ethylene glycol units, an imageable moiety anda non-peptidic vector moiety provided that the vector does not have affinity for the Angiotensin II receptor; enhanced contrast; tomography (SPECT); PET sccans; MRIs AGTR1, AGTR2, AVPR1A MMP1 342/4885RORC 4761/4885KEAP1 3927/4885
US-20190105409-A9 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 MMP1 1627/4885RORC 3917/4885KEAP1 1643/4885
US-20140286866-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 MMP1 1627/4885RORC 3917/4885KEAP1 1643/4885
US-20120269727-A1 IMAGING AGENTS WITH IMPROVED PHARMACOKINETIC PROFILES SLC10A1, SLC10A2, SLC19A1 MMP1 1627/4885RORC 3917/4885KEAP1 1643/4885
US-20070104644-A1 Inhibitor imaging agents MMP3, MMP1, MMP10 MMP1 2/4885RORC 4877/4885KEAP1 3802/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.